(3-methoxyphenyl)-[(3R)-1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpiperidin-3-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(3R)-1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpiperidin-3-yl]methanone Openeye Name: [(3R)-1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-3-piperidyl]-(3-methoxyphenyl)methanone CAS Name: [(3R)-1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-3-piperidinyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3R)-1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperidin-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3R)-1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-3-piperidyl]-(3-methoxyphenyl)methanone Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)OC)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCC[C@H](C2)C(=O)C3=CC(=CC=C3)OC)O

InChI

InChI=1S/C25H27NO4/c1-25(2,29)14-13-18-9-11-19(12-10-18)24(28)26-15-5-7-21(17-26)23(27)20-6-4-8-22(16-20)30-3/h4,6,8-12,16,21,29H,5,7,15,17H2,1-3H3/t21-/m1/s1